dodec-3-ene

• ChemBase ID: 109294
• Molecular Formular: C12H24
• Molecular Mass: 168.31896
• Monoisotopic Mass: 168.18780077
• SMILES: CCCCCCCC/C=C/CC
• Canonical SMILES: CCCCCCCC/C=C/CC
• InChI: InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h5,7H,3-4,6,8-12H2,1-2H3
• InChIKey: WLTSXAIICPDFKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodec-3-ene
• IUPAC Traditional name: dodec-3-ene
• Synonyms: cis-3-DODECENE

Database IDs

• PubChem SID: 162106261
• PubChem CID: 5362826

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4366283
• LogD (pH = 7.4): 5.4366283
• Log P: 5.4366283
• Molar Refractivity: 58.1308 cm^3
• Polarizability: 22.682592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210489

MP Biomedicals Rare Chemical collection